Molecular dynamics simulation is used to study nanoindentation of the self-assembled monolayers
(SAMs) on an Au surface. The interaction of SAM atoms is described by a general universal force field
(UFF), the tight-binding second-moment approximation (TB-SMA) is used for Au substrate, and the
Lennard-Jones potential function is employed to describe interaction among the indenter, the SAMs, and
the Au substrate atoms. The model consists of a planar Au substrate with n-hexadecanethiol SAM
chemisorbed to the substrate. The simulation results show that the contact pressure increases as the
SAMs temperature increases. In addition, the contact pressure also increases as the depth and velocity of
indentation increase.